N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide

C17H19N5O2S — CID 144637743

IUPACN-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
SMILESCN(Cc1ccco1)C(=O)C1CCN(c2ccnc3nsnc23)CC1
InChIInChI=1S/C17H19N5O2S/c1-21(11-13-3-2-10-24-13)17(23)12-5-8-22(9-6-12)14-4-7-18-16-15(14)19-25-20-16/h2-4,7,10,12H,5-6,8-9,11H2,1H3
InChIKeyHAFRIPAYHSWHOZ-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.55
Rot. Bonds4

About N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide

N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide (PubChem CID 144637743) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
PubChem CID144637743
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
SMILESCN(Cc1ccco1)C(=O)C1CCN(c2ccnc3nsnc23)CC1
InChIInChI=1S/C17H19N5O2S/c1-21(11-13-3-2-10-24-13)17(23)12-5-8-22(9-6-12)14-4-7-18-16-15(14)19-25-20-16/h2-4,7,10,12H,5-6,8-9,11H2,1H3
InChIKeyHAFRIPAYHSWHOZ-UHFFFAOYSA-N
XLogP2.55
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide (CID 144637743) is N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide is CN(Cc1ccco1)C(=O)C1CCN(c2ccnc3nsnc23)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The InChIKey is HAFRIPAYHSWHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-21(11-13-3-2-10-24-13)17(23)12-5-8-22(9-6-12)14-4-7-18-16-15(14)19-25-20-16/h2-4,7,10,12H,5-6,8-9,11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 144637743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).